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Information card for entry 4117312
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Coordinates | 4117312.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ru(3b-H)(PNNP)](PF6) (minor) (5c) |
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Formula | C53 H51 Cl5 F6 N2 O3 P3 Ru |
Calculated formula | C52.75 H50.75 Cl5.25 F6 N2 O3 P3 Ru |
Title of publication | Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight |
Authors of publication | Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 1331 - 1343 |
a | 10.4554 ± 0.0014 Å |
b | 14.35 ± 0.002 Å |
c | 35.366 ± 0.005 Å |
α | 90° |
β | 95.133 ± 0.003° |
γ | 90° |
Cell volume | 5284.9 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1043 |
Residual factor for significantly intense reflections | 0.0818 |
Weighted residual factors for significantly intense reflections | 0.1602 |
Weighted residual factors for all reflections included in the refinement | 0.1692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4117312.html
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